3,4-DIHYDRO-7-METHOXY-3-PHENYL-4-HYDROXY-4-(P-(2-(1-PYRROLIDYL)ETHOXY)PHENYL)-1H-2-BENZOTHIAPYRAN HYDROCHLORIDE

Details

Stereochemistry	MIXED
Molecular Formula	C28H32NO3S.Cl
Molecular Weight	498.077
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,4-DIHYDRO-7-METHOXY-3-PHENYL-4-HYDROXY-4-(P-(2-(1-PYRROLIDYL)ETHOXY)PHENYL)-1H-2-BENZOTHIAPYRAN HYDROCHLORIDE

Structure Search

SMILES

[Cl-].COC1=CC2=C(C=C1)C(O)(C(SC2)C3=CC=CC=C3)C4=CC=C(OCC[NH+]5CCCC5)C=C4

InChI

InChIKey=GFDYUEGJIZAHKJ-UHFFFAOYSA-N

InChI=1S/C28H31NO3S.ClH/c1-31-25-13-14-26-22(19-25)20-33-27(21-7-3-2-4-8-21)28(26,30)23-9-11-24(12-10-23)32-18-17-29-15-5-6-16-29;/h2-4,7-14,19,27,30H,5-6,15-18,20H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C28H31NO3S
Molecular Weight	461.616
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:36:55 GMT 2023` Edited by `admin` on `Sat Dec 16 11:36:55 GMT 2023`
Record UNII	84H9E7C92A
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3,4-DIHYDRO-7-METHOXY-3-PHENYL-4-HYDROXY-4-(P-(2-(1-PYRROLIDYL)ETHOXY)PHENYL)-1H-2-BENZOTHIAPYRAN HYDROCHLORIDE

Common Name

English

1H-2-BENZOTHIOPYRAN-4-OL, 3,4-DIHYDRO-7-METHOXY-3-PHENYL-4-(4-(2-(1-PYRROLIDINYL)ETHOXY)PHENYL)-, HYDROCHLORIDE

Systematic Name

English

1H-2-BENZOTHIOPYRAN-4-OL, 3,4-DIHYDRO-7-METHOXY-3-PHENYL-4-(4-(2-(1-PYRROLIDINYL)ETHOXY)PHENYL)-, HYDROCHLORIDE (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

84H9E7C92A

Created by admin on Sat Dec 16 11:36:55 GMT 2023 , Edited by admin on Sat Dec 16 11:36:55 GMT 2023

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PUBCHEM

36738

Created by admin on Sat Dec 16 11:36:55 GMT 2023 , Edited by admin on Sat Dec 16 11:36:55 GMT 2023

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EPA CompTox

DTXSID20955846

Created by admin on Sat Dec 16 11:36:55 GMT 2023 , Edited by admin on Sat Dec 16 11:36:55 GMT 2023

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CAS

34289-02-6

Created by admin on Sat Dec 16 11:36:55 GMT 2023 , Edited by admin on Sat Dec 16 11:36:55 GMT 2023

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